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CHEBI:182181 - Anhydrocochlioquinone A

ChEBI IDCHEBI:182181
ChEBI NameAnhydrocochlioquinone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
SMILES[H][C@]1(C(C)(C)O)CC[C@]2(C)C3=CC4=C(OC3[C@@H](C)C[C@@]2([H])O1)C(=O)C([C@H](C)[C@H](OC(C)=O)[C@@H](C)CC)=CC4=O
InChIInChI=1S/C30H42O7/c1-9-15(2)26(35-18(5)31)17(4)19-14-22(32)20-13-21-27(37-28(20)25(19)33)16(3)12-24-30(21,8)11-10-23(36-24)29(6,7)34/h13-17,23-24,26-27,34H,9-12H2,1-8H3/t15-,16-,17-,23+,24+,26+,27?,30+/m0/s1
InChIKeyCBLRPZZCLBREIA-YYRMTXNWSA-N
ChEBI Ontology
Outgoing Relation(s)
Anhydrocochlioquinone A (CHEBI:182181) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(2S,3R,4S)-2-[(3R,4aR,6S,12bR)-3-(2-hydroxypropan-2-yl)-6,12b-dimethyl-8,11-dioxo-2,3,4a,5,6,6a-hexahydro-1H-pyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
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